Simon, Carsten; Petras, Daniel; Roth, Vanessa-Nina; Dührkop, Kai; Böcker, Sebastian; Dorrestein, Pieter C; Gleixner, Gerd (2021): Structural insight into conifer forest topsoil dissolved organic matter (Wetzstein, Germany) by Orbitrap tandem MS mass difference matching [dataset]. PANGAEA, https://doi.org/10.1594/PANGAEA.932592
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Simon, Carsten; Dührkop, Kai; Petras, Daniel; Roth, Vanessa-Nina; Böcker, Sebastian; Dorrestein, Pieter C; Gleixner, Gerd (2022): Structural insight into conifer forest topsoil and blackwater dissolved organic matter by Orbitrap tandem MS mass difference matching. PANGAEA, https://doi.org/10.1594/PANGAEA.944673
Abstract:
Ultrahigh-resolution Fourier transform tandem mass spectrometry was employed to reveal novel structural detail of the natural complex mixture dissolved organic matter (DOM) that is found ubiquitously in soils and rivers. We developed and evaluated a novel approach to decipher the structural detail that is encrypted in DOM. A DOM sample from a spruce forest (Wetzstein, Germany, 50° 27' 13" N; 11° 27' 27" E; 785 meter above sea level) was used as a representative biodegraded DOM mixture of high complexity and measured by direct-injection tandem mass spectrometry (DI-ESI-Orbitrap-MS/MS). The unknowns in DOM were then compared with indicative tandem MS features (mass differences, "Δm" features) from known standard compounds (14 phenolic standard substances measured in parallel, and 11280 library mass spectra available from the java-based software framework SIRIUS) and natural product and in-silico structure suggestions. The dataset consists of six subsets (Data Set ds01 - ds06), all of which are xlsx files.
Keyword(s):
Related to:
Simon, Carsten; Dührkop, Kai; Petras, Daniel; Roth, Vanessa-Nina; Böcker, Sebastian; Dorrestein, Pieter C; Gleixner, Gerd (2022): Mass Difference Matching Unfolds Hidden Molecular Structures of Dissolved Organic Matter. Environmental Science & Technology, 56(15), 11027-11040, https://doi.org/10.1021/acs.est.2c01332
Coverage:
Latitude: 50.453610 * Longitude: 11.457500
Date/Time Start: 2005-11-26T00:00:00 * Date/Time End: 2005-12-06T00:00:00
Minimum Elevation: 785.0 m * Maximum Elevation: 785.0 m
Event(s):
Parameter(s):
| # | Name | Short Name | Unit | Principal Investigator | Method/Device | Comment |
|---|---|---|---|---|---|---|
| 1 | Binary Object | Binary | Gleixner, Gerd | |||
| 2 | Binary Object (Media Type) | Binary (Type) | Gleixner, Gerd | |||
| 3 | File content | Content | Gleixner, Gerd |
Change history:
2022-05-25T11:58:48 – A new version of the data has been uploaded, and can be found here: doi:10.1594/PANGAEA.944673.
License:
(UNKNOWN)
Status:
Curation Level: Basic curation (CurationLevelB)
Size:
12 data points